[2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone

C25H22N2O3S — CID 162653357

IUPAC[2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(-c4cccs4)c3n2)cc1
InChIInChI=1S/C25H22N2O3S/c1-29-18-9-7-17(8-10-18)22-16-21(25(28)27-11-13-30-14-12-27)19-4-2-5-20(24(19)26-22)23-6-3-15-31-23/h2-10,15-16H,11-14H2,1H3
InChIKeyBPJCSSURXYITEW-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.11
Rot. Bonds4

About [2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone

[2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone (PubChem CID 162653357) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone
PubChem CID162653357
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC Name[2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(-c4cccs4)c3n2)cc1
InChIInChI=1S/C25H22N2O3S/c1-29-18-9-7-17(8-10-18)22-16-21(25(28)27-11-13-30-14-12-27)19-4-2-5-20(24(19)26-22)23-6-3-15-31-23/h2-10,15-16H,11-14H2,1H3
InChIKeyBPJCSSURXYITEW-UHFFFAOYSA-N
XLogP5.11
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone (CID 162653357) is [2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCOCC3)c3cccc(-c4cccs4)c3n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is BPJCSSURXYITEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-29-18-9-7-17(8-10-18)22-16-21(25(28)27-11-13-30-14-12-27)19-4-2-5-20(24(19)26-22)23-6-3-15-31-23/h2-10,15-16H,11-14H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone?
[2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 430.53 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-8-thiophen-2-ylquinolin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 162653357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).